3,3-dimethyl-2-methylidenethiolane

C7H12S — CID 142382826

IUPAC3,3-dimethyl-2-methylidenethiolane
SMILESC=C1SCCC1(C)C
InChIInChI=1S/C7H12S/c1-6-7(2,3)4-5-8-6/h1,4-5H2,2-3H3
InChIKeyXLDWUIZNTBXDDW-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.66
Rot. Bonds

About 3,3-dimethyl-2-methylidenethiolane

3,3-dimethyl-2-methylidenethiolane (PubChem CID 142382826) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidenethiolane.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidenethiolane
PubChem CID142382826
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name3,3-dimethyl-2-methylidenethiolane
SMILESC=C1SCCC1(C)C
InChIInChI=1S/C7H12S/c1-6-7(2,3)4-5-8-6/h1,4-5H2,2-3H3
InChIKeyXLDWUIZNTBXDDW-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-methylidene-1,4-dithiane
CID 15304236
4,4-dimethylthian-2-one
CID 143861663
6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 129069986
(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)boronic acid
CID 23005446
(2R)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-3-en-2-ol
CID 129362641
5,5-dimethyl-1,4-thiazepan-2-one
CID 143599285
6-ethynyl-4,4,7-trimethyl-2,3-dihydrothiochromene
CID 15661128
6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 173298315
1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
6-bromo-4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylic acid
CID 91880678
(NE)-N-[1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethylidene]hydroxylamine
CID 143077703
4,4,5,8-tetramethyl-2,3-dihydrothiochromene-6-carboxylic acid
CID 12993686

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidenethiolane?
The IUPAC name of 3,3-dimethyl-2-methylidenethiolane (CID 142382826) is 3,3-dimethyl-2-methylidenethiolane.
What is the SMILES notation for 3,3-dimethyl-2-methylidenethiolane?
The canonical SMILES for 3,3-dimethyl-2-methylidenethiolane is C=C1SCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidenethiolane?
The InChIKey is XLDWUIZNTBXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-6-7(2,3)4-5-8-6/h1,4-5H2,2-3H3.
What are the key properties of 3,3-dimethyl-2-methylidenethiolane?
3,3-dimethyl-2-methylidenethiolane has a molecular weight of 128.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidenethiolane is sourced from PubChem (CID 142382826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).